3-methyl-5-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propoxy]phenyl]indazole-1-carboxylic acid

Systemtic Name: 3-methyl-5-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propoxy]phenyl]indazole-1-carboxylic acid Openeye Name: 5-[3-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]phenyl]-3-methyl-indazole-1-carboxylic acid CAS Name: 3-methyl-5-[3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropoxy]phenyl]-1-indazolecarboxylic acid IUPAC Name: 3-methyl-5-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]phenyl]indazole-1-carboxylic acid Traditional Name: 5-[3-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]phenyl]-3-methyl-indazole-1-carboxylic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CC=C3)OCC(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CC=C3)OCC(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C29H31N3O5/c1-19-25-17-22(13-14-26(25)32(31-19)28(34)35)21-11-8-12-24(16-21)36-18-23(15-20-9-6-5-7-10-20)30-27(33)37-29(2,3)4/h5-14,16-17,23H,15,18H2,1-4H3,(H,30,33)(H,34,35)